SCHEMBL8764102

SCHEMBL8764102

CCC12C(=O)C(CCCc3ccccc3)CC1C2C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.39
CYP19A1 P11511 8/20 0.38
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8762760 0.76 ALDH1A1 (0.42) GRM2GRM3
SCHEMBL8902260 0.73 CYP19A1 (0.38) CYP19A1NPC1RAB9A
SCHEMBL8763747 0.72 PTGS1 (0.39) NPC1RAB9A
SCHEMBL8763834 0.72
SCHEMBL8764427 0.70 HSD11B1 (0.31)
SCHEMBL7057956 0.69 KDM4E (0.45) GRM2GRM3
SCHEMBL7734241 0.68 CYP19A1 (0.41) CYP19A1
SCHEMBL7058342 0.65 MAPT (0.47) GRM2GRM3
SCHEMBL7058347 0.65 MAPT (0.47) GRM2GRM3
SCHEMBL7734160 0.64 HSD17B3 (0.42) SLC1A2CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed